Information card for entry 4065609

Structure parameters

• Formula: C29 H45 N2 O Sc Si2
• Calculated formula: C29 H45 N2 O Sc Si2
• SMILES: [Sc]1([n]2cccc3cccc(N1c1c(cccc1C)C)c23)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Stereoselective Polymerization of Styrene with Cationic Scandium Precursors Bearing Quinolyl Aniline Ligands
• Authors of publication: Liu, Dongtao; Luo, Yunjie; Gao, Wei; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1916
• a: 9.5815 ± 0.001 Å
• b: 11.3419 ± 0.0012 Å
• c: 16.1671 ± 0.0017 Å
• α: 78.288 ± 0.002°
• β: 73.593 ± 0.002°
• γ: 68.657 ± 0.002°
• Cell volume: 1559.9 ± 0.3 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No